tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane

C20H41BO3Si — CID 131745314

IUPACtert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane
SMILESCCCCC[C@@H](/C=C/B1OC(C)(C)C(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41BO3Si/c1-11-12-13-14-17(22-25(9,10)18(2,3)4)15-16-21-23-19(5,6)20(7,8)24-21/h15-17H,11-14H2,1-10H3/b16-15+/t17-/m0/s1
InChIKeyUGSDKGSWOAVCBG-IWLLYFRBSA-N
MW368.44 g/mol
LogP6.14
Rot. Bonds8

About tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane

tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane (PubChem CID 131745314) has the molecular formula C20H41BO3Si and a molecular weight of 368.44 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane
PubChem CID131745314
Molecular FormulaC20H41BO3Si
Molecular Weight368.44 g/mol
Exact Mass368.29
IUPAC Nametert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane
SMILESCCCCC[C@@H](/C=C/B1OC(C)(C)C(C)(C)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H41BO3Si/c1-11-12-13-14-17(22-25(9,10)18(2,3)4)15-16-21-23-19(5,6)20(7,8)24-21/h15-17H,11-14H2,1-10H3/b16-15+/t17-/m0/s1
InChIKeyUGSDKGSWOAVCBG-IWLLYFRBSA-N
XLogP6.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane (CID 131745314) is tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane is CCCCC[C@@H](/C=C/B1OC(C)(C)C(C)(C)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane?
The InChIKey is UGSDKGSWOAVCBG-IWLLYFRBSA-N. The full InChI is InChI=1S/C20H41BO3Si/c1-11-12-13-14-17(22-25(9,10)18(2,3)4)15-16-21-23-19(5,6)20(7,8)24-21/h15-17H,11-14H2,1-10H3/b16-15+/t17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane?
tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane has a molecular weight of 368.44 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,3S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)oct-1-en-3-yl]oxysilane is sourced from PubChem (CID 131745314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).